HRID2328643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

HCID11170993

4-Ethynylbenzyl alcohol

C9H8O

结构：CC(C)(C)OC(=O)CSc1nc2cc(I)c(Cl)cc2[nH]1

HCID58387110

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CSc1nc2cc(C#Cc3ccc(CO)cc3)c(Cl)cc2[nH]1

HCID178451390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c81dd9705dd54f96adfc3ee5aa2acc4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][S:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][c:15]([Cl:19])[c:16]([I:18])[cH:17]2)=[O:20].[C:21](#[CH:22])[c:23]1[cH:24][cH:25][c:26]([CH2:29][OH:30])[cH:27][cH:28]1.[Cu:36]([I:37])[I:38].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][S:8][c:9]1[n:10][c:11]2[c:12]([nH:13]1)[cH:14][c:15]([Cl:19])[c:16]([C:22]#[C:21][c:23]1[cH:24][cH:25][c:26]([CH2:29][OH:30])[cH:27][cH:28]1)[cH:17]2)=[O:20]